SCHEMBL8948437

SCHEMBL8948437

CCC(O)N(CC(=O)O)C(O)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.36
TDP1 Q9NUW8 3/20 0.36
EYA2 O00167 1/20 0.36
APP P05067 1/20 0.36
ACE P12821 1/20 0.36
TSHR P16473 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ALOX15 P16050 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SLC6A3 Q01959 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3838592 0.80 FFAR3 (0.36) FFAR3TDP1EYA2APPACE
SCHEMBL8998363 0.76 FFAR3 (0.37) FFAR3TSHRKDM4EALOX15HDAC3
SCHEMBL15284072 0.75 FFAR3 (0.36) FFAR3TDP1EYA2APPACE
SCHEMBL186528 0.74 TDP1 (0.39) FFAR3TDP1EYA2APPACE
SCHEMBL8948346 0.73 TDP1 (0.35) TDP1EYA2APPACETSHR
SCHEMBL4023784 0.73 SLC1A3 (0.35) FFAR3TDP1EYA2APPACE
SCHEMBL17513801 0.73 TDP1 (0.31) FFAR3TDP1EYA2APPACE
SCHEMBL28399026 0.73 TSHR (0.37) TDP1TSHR
SCHEMBL3901854 0.72 TDP1 (0.38) FFAR3TDP1EYA2APPACE
Ammonia Solution, Strong SCHEMBL3916100 0.72 TDP1 (0.38) FFAR3TDP1EYA2APPACE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725636-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1996-08-14 EP disclosed
US-5514808-A Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions FHJ SCIENTIFIC, INC (US) 1996-05-07 US disclosed
WO-1995010272-A1 HYDROXYL IONS AS UNIQUE THERAPEUTIC AGENTS AND COMPOUNDS THAT MODULATE THESE IONS, COMPOSITIONS EMPLOYING THESE AGENTS, THERAPEUTIC METHODS FOR USING SUCH AGENTS AND PROCESSES FOR PREPARING THEM FHJ SCIENTIFIC, INC. (US) 1995-04-20 WO disclosed